Exact treatment of linear nonhyphen;Condon terms in the theory ofTne;0 K multimode resonance Raman scattering and optical absorption

摘要

Nonhyphen;Condon terms derived from expanding the electronic transition dipole matrix elements to terms linear in the normal coordinates are included in the timehyphen;correlator theory of resonance Raman scattering.ExactTne;0 K multimode model expressions for the optical absorption and firsthyphen;order resonance Raman profiles are derived, and Tehverrsquo;sapproximateabsorptionrarr;profile transform relation is rederived from these expressions. Numerical calculations show that for realistic model parameters for a wide class of systems, this approximate transform relation yields sufficiently accurate firsthyphen;order RR profilelineshapes. On the other hand, it is shown that the approximations necessary for this transform relation are unnecessary for numericalmodelingof the optical absorptionandresonance Raman profiles, because the exact model expressions are very convenient for computation.